2-ethoxyethanol;3-oxohexanoic acid

C10H20O5 — CID 88812724

IUPAC2-ethoxyethanol;3-oxohexanoic acid
SMILESCCCC(=O)CC(=O)O.CCOCCO
InChIInChI=1S/C6H10O3.C4H10O2/c1-2-3-5(7)4-6(8)9;1-2-6-4-3-5/h2-4H2,1H3,(H,8,9);5H,2-4H2,1H3
InChIKeyOONRJRFKAYVXJN-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.85
Rot. Bonds7

About 2-ethoxyethanol;3-oxohexanoic acid

2-ethoxyethanol;3-oxohexanoic acid (PubChem CID 88812724) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-ethoxyethanol;3-oxohexanoic acid.

Molecular Properties

Compound Name2-ethoxyethanol;3-oxohexanoic acid
PubChem CID88812724
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-ethoxyethanol;3-oxohexanoic acid
SMILESCCCC(=O)CC(=O)O.CCOCCO
InChIInChI=1S/C6H10O3.C4H10O2/c1-2-3-5(7)4-6(8)9;1-2-6-4-3-5/h2-4H2,1H3,(H,8,9);5H,2-4H2,1H3
InChIKeyOONRJRFKAYVXJN-UHFFFAOYSA-N
XLogP0.85
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethanol;propanoic acid
CID 71354268
bis(3-oxohexanoic acid);silane
CID 175228530
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-ethoxyethanol;sulfuric acid
CID 87749123
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-ethoxyethanol;ethyl acetate
CID 22463789
3-ethoxypropan-1-ol;octadecanoic acid
CID 174469780
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;3-oxohexanoic acid?
The IUPAC name of 2-ethoxyethanol;3-oxohexanoic acid (CID 88812724) is 2-ethoxyethanol;3-oxohexanoic acid.
What is the SMILES notation for 2-ethoxyethanol;3-oxohexanoic acid?
The canonical SMILES for 2-ethoxyethanol;3-oxohexanoic acid is CCCC(=O)CC(=O)O.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;3-oxohexanoic acid?
The InChIKey is OONRJRFKAYVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O2/c1-2-3-5(7)4-6(8)9;1-2-6-4-3-5/h2-4H2,1H3,(H,8,9);5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;3-oxohexanoic acid?
2-ethoxyethanol;3-oxohexanoic acid has a molecular weight of 220.26 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;3-oxohexanoic acid is sourced from PubChem (CID 88812724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).